SCHEMBL21074751

SCHEMBL21074751

COc1c(N2CCNC(C)C2)c(F)c(NC(=O)OC(C)(P(=O)(O)O)P(=O)(O)O)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
KCNH2 Q12809 5/20 0.58
HPGD P15428 5/20 0.58
ALDH1A1 P00352 5/20 0.58
POLB P06746 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
PRKD3 O94806 1/20 0.58
ALOX15 P16050 1/20 0.58
OPRM1 P35372 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CACNA1F O60840 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21074704 0.89 KDM4E (0.61) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL21074643 0.85 MEN1 (0.65) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL21074732 0.83 KDM4E (0.55) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL21783175 0.81 MEN1 (0.61) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL9088599 0.81 KDM4E (0.71) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL12156452 0.81 KCNH2 (0.70) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL13925384 0.81 KCNH2 (0.70) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL21074635 0.80 POLB (0.54) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL22778992 0.77 KDM4E (0.52) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL9435467 0.75 MEN1 (0.79) KDM4EKCNH2HPGDALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US disclosed
US-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2020-12-15 US disclosed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885KCNH2 4450/4885HPGD 266/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885KCNH2 4450/4885HPGD 266/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885KCNH2 4450/4885HPGD 266/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885KCNH2 4450/4885HPGD 266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.